SCHEMBL21677205

SCHEMBL21677205

CCOC(=O)Cn1nc(C2CC2)n2c(cc3sccc32)c1=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.60
HSD17B10 Q99714 4/20 0.58
TP53 P04637 1/20 0.56
POLB P06746 2/20 0.48
THRB P10828 2/20 0.48
KDM4E B2RXH2 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TSHR P16473 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26038093 0.85 NLRP3 (0.46) NLRP3HSD17B10TP53THRBKDM4E
SCHEMBL21677395 0.83 NLRP3 (0.48) NLRP3HSD17B10TP53THRBKDM4E
SCHEMBL21677210 0.83 KDM4E (0.45) NLRP3HSD17B10TP53POLBTHRB
SCHEMBL21677397 0.82 HSD17B10 (0.60) NLRP3HSD17B10TP53POLBTHRB
SCHEMBL25771176 0.82 NLRP3 (0.60) NLRP3HSD17B10TP53POLBTHRB
SCHEMBL21677264 0.81 NLRP3 (0.61) NLRP3HSD17B10TP53POLBTHRB
SCHEMBL25360311 0.77 KDM4E (0.42) NLRP3HSD17B10TP53THRBKDM4E
SCHEMBL25247651 0.76 HSD17B10 (0.54) NLRP3HSD17B10TP53POLBTHRB
SCHEMBL23950582 0.75 KDM4E (0.41) NLRP3HSD17B10POLBKDM4ETSHR
SCHEMBL25243238 0.72 NLRP3 (0.56) NLRP3HSD17B10TP53POLBTHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168012-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2024-12-17 US disclosed
EP-3827008-B1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2024-07-31 EP disclosed
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2021-10-07 US disclosed
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2021-10-07 US disclosed
WO-2020021447-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2020-01-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12168012-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 NLRP3 1/4885HSD17B10 2625/4885TP53 1469/4885
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 NLRP3 1/4885HSD17B10 2533/4885TP53 1466/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.